%chk=000248257.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248257

0 1
P -4.602061 0.586211 -0.696235
O 7.055304 1.090789 -0.497772
O -3.637952 -0.699365 -0.215096
O -4.433650 0.987230 -2.112893
N -6.181774 -0.026996 -0.254217
N -4.229610 1.807622 0.501240
C 4.261297 -0.917444 0.531805
C 4.773555 0.517097 0.208915
C 2.732157 -1.100599 0.559196
C 2.021679 -0.373405 -0.606487
C 3.961668 1.213991 -0.903174
C 4.957475 -1.838345 -0.502388
C 2.453526 1.105160 -0.681005
C 2.146852 -0.632072 1.904925
C 6.186861 0.264420 -0.377097
C 6.315563 -1.189201 -0.795438
C 0.516043 -0.456721 -0.481683
C 4.876653 1.385730 1.459727
C 0.661384 -0.991672 2.006815
C -0.116612 -0.713418 0.750174
C -0.263521 -0.247503 -1.631806
C -1.517596 -0.748278 0.819913
C -2.258903 -0.535432 -0.345483
C -1.656362 -0.285739 -1.584749
C -6.343534 -1.345907 0.432261
C -6.777057 -1.171915 -1.008317
C -4.333708 3.248184 0.113234
C -5.310733 2.647990 1.101744
H 4.651015 -1.196707 1.543240
H 2.518317 -2.195205 0.455437
H 2.328971 -0.879229 -1.557495
H 4.218541 0.774507 -1.888234
H 4.260390 2.279367 -0.965415
H 4.356918 -1.918654 -1.426080
H 5.068061 -2.863208 -0.114139
H 2.158148 1.631529 0.247520
H 1.913644 1.618417 -1.499384
H 2.281962 0.464515 2.007737
H 2.698631 -1.086566 2.748218
H 6.602987 -1.268094 -1.858834
H 7.137798 -1.671738 -0.234799
H 3.882534 1.613525 1.864427
H 5.456882 0.901826 2.252793
H 5.375386 2.339658 1.236911
H 0.208470 -0.446233 2.861079
H 0.552468 -2.070885 2.252258
H 0.226041 -0.050831 -2.586660
H -2.036678 -0.932802 1.757396
H -2.251823 -0.118274 -2.485218
H -7.088361 -1.354547 1.236416
H -5.479146 -1.972130 0.684599
H -6.244538 -1.674464 -1.822282
H -7.839283 -1.051005 -1.255286
H -4.656246 3.558142 -0.887527
H -3.505970 3.875756 0.466440
H -5.193559 2.836860 2.175916
H -6.366199 2.511257 0.842558


%chk=000248257-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248257

0 1
P -4.947367 0.585710 -0.665915
O 7.176571 1.094513 -0.514915
O -3.736497 -0.495237 0.032161
O -4.656877 1.053256 -2.166123
N -6.424518 -0.310978 -0.421792
N -5.086209 1.847038 0.587556
C 4.308573 -0.961418 0.406003
C 4.873557 0.485283 0.207496
C 2.764740 -1.106332 0.505023
C 2.012008 -0.268465 -0.569573
C 4.040314 1.258325 -0.876032
C 4.935156 -1.785144 -0.764549
C 2.525334 1.201725 -0.592679
C 2.199885 -0.792942 1.914328
C 6.267220 0.234637 -0.423051
C 6.361770 -1.214256 -0.924934
C 0.493001 -0.327687 -0.388882
C 5.011757 1.330487 1.492519
C 0.723799 -1.229425 2.010000
C -0.113722 -0.748856 0.828405
C -0.344719 0.059979 -1.465928
C -1.526020 -0.756013 0.935985
C -2.331528 -0.374086 -0.153430
C -1.750632 0.038607 -1.375903
C -6.624392 -1.294130 0.703440
C -6.538131 -1.780088 -0.737599
C -4.150025 3.043076 0.464332
C -5.619633 3.200722 0.133677
H 4.741036 -1.356474 1.351676
H 2.535229 -2.178371 0.310383
H 2.244545 -0.695211 -1.569016
H 4.226150 0.828003 -1.881971
H 4.399906 2.303718 -0.911687
H 4.356081 -1.639243 -1.695654
H 4.930134 -2.866822 -0.543666
H 2.287510 1.699426 0.367012
H 1.982456 1.766272 -1.374856
H 2.283881 0.287760 2.135479
H 2.794405 -1.323111 2.683501
H 6.775334 -1.253514 -1.947644
H 7.083899 -1.742868 -0.269894
H 4.038267 1.721795 1.834975
H 5.447824 0.736196 2.316694
H 5.683038 2.186824 1.299503
H 0.274716 -0.872030 2.956664
H 0.678919 -2.338477 2.047958
H 0.116799 0.372307 -2.411582
H -2.012147 -1.068820 1.866851
H -2.385883 0.325531 -2.219260
H -7.598029 -1.210049 1.195071
H -5.770158 -1.500308 1.356716
H -5.627646 -2.315670 -1.031391
H -7.446734 -2.052053 -1.282116
H -3.442007 3.064047 -0.372998
H -3.762563 3.390370 1.426046
H -6.299139 3.662502 0.855083
H -5.886930 3.315165 -0.923799


